CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 138.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
---|---|
Kovats Retention Index | 1516.1 |
COMPUTED DESCRIPTORS
Molecular Weight | 176.26 g/mol |
---|---|
XLogP3 | 1.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 176.131348519 g/mol |
Monoisotopic Mass | 176.131348519 g/mol |
Topological Polar Surface Area | 15.3 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 135 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-benzylpiperazine is a tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a serotonergic agonist used as a recreational drug. It has a role as a xenobiotic, an environmental contaminant, a psychotropic drug and a serotonergic agonist.